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ASINEX-ZINC00855591

 MMsINC code: MMs00194839
Type: Neutral
Formula: C24H19ClN2O2
SMILES:   Clc1ccccc1C(NC(=O)Cc1ccccc1)c1ccc2c(nccc2)c1O
InChI:   InChI=1/C24H19ClN2O2/c25-20-11-5-4-10-18(20)23(27-21(28)15-16-7-2-1-3-8-16)19-13-12-17-9-6-14-26-22(17)24(19)29/h1-14,23,29H,15H2,(H,27,28)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.881 g/mol  logS: -6.08916  SlogP: 5.13757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0780615  Sterimol/B1: 4.05091  Sterimol/B2: 4.17983  Sterimol/B3: 4.5691
  Sterimol/B4: 8.75067  Sterimol/L: 17.7191 
 
 Surface and Volume Properties
  Accessible surface: 658.01  Positive charged surface: 364.6  Negative charged surface: 288.329  Volume: 377.25
  Hydrophobic surface: 579.066  Hydrophilic surface: 78.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.